SCHEMBL990558

SCHEMBL990558

Cc1cc2c(CC(=O)O)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 5/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PLA2G2A P14555 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14531557 0.81 DAO (0.60) KDM4EMAPTGAAALDH1A1DAO
SCHEMBL5852333 0.80 ALDH1A1 (0.50) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL8977644 0.79 KDM4E (0.51) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL5850993 0.77 KDM4E (0.41) KDM4EMAPTGAAALDH1A1DAO
SCHEMBL5728764 0.76 GAA (0.46) KDM4EMAPTGAAALDH1A1DAO
SCHEMBL5738637 0.75 PBRM1 (0.49) KDM4EMAPTGAAALDH1A1GRIN2D
SCHEMBL30265815 0.75 PBRM1 (0.49) KDM4EMAPTGAAALDH1A1GRIN2D
SCHEMBL3915851 0.74 HTR1A (0.53) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL14319825 0.73 CYP3A4 (0.49) KDM4EMAPTGAAALDH1A1DAO
SCHEMBL69234 0.72 TDP1 (0.76) KDM4EMAPTGRIN2DGRIN3BGRIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. 2004-09-16 US claimed
US-20040092750-A1 2-methylindole-4-acetic acid, process for producing the same, and process for producing intermediate therefor ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US claimed
EP-1367050-A1 2-METHYLINDOLE-4-ACETIC ACID, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING INTERMEDIATE THEREFOR ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP claimed
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2003-09-18 US claimed
EP-1262475-A1 INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP claimed
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
EP-3175856-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS The Trustees of the University of Pennsylvania (US) 2017-06-07 EP disclosed
EP-2037967-B1 PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS FOR TREATING ANDROGENETIC ALOPECIA UNIV PENNSYLVANIA (US) 2016-12-07 EP disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
US-9254293-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-09 US disclosed
CN-104768946-A Fused pyrimidines as inhibitors of the p97 complex CLEAVE BIOSCIENCES INC 2015-07-08 CN disclosed
US-20040092750-A1 2-methylindole-4-acetic acid, process for producing the same, and process for producing intermediate therefor ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
US-20040092750-A1 2-methylindole-4-acetic acid, process for producing the same, and process for producing intermediate therefor ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
JP-2004010601-A METHOD FOR PRODUCING INDOLE DERIVATIVE AND INTERMEDIATE USEFUL FOR THE SAME NIPPON STEEL CHEM CO LTD 2004-01-15 JP disclosed
EP-1367050-A1 2-METHYLINDOLE-4-ACETIC ACID, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING INTERMEDIATE THEREFOR ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
EP-1367050-A1 2-METHYLINDOLE-4-ACETIC ACID, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING INTERMEDIATE THEREFOR ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2003-09-18 US disclosed
EP-1262475-A1 INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
WO-2002070477-A1 2-METHYLINDOLE-4-ACETIC ACID, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING INTERMEDIATE THEREFOR ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 KDM4E 4325/4885MAPT 3512/4885GAA 3865/4885
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH KDM4E 2893/4885MAPT 617/4885GAA 4301/4885
US-20040092750-A1 2-methylindole-4-acetic acid, process for producing the same, and process for producing intermediate therefor TPH2, ALDH7A1, IDO1 KDM4E 1346/4885MAPT 1772/4885GAA 3213/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 KDM4E 4325/4885MAPT 3512/4885GAA 3865/4885
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH KDM4E 2893/4885MAPT 617/4885GAA 4301/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.