SCHEMBL1706351

SCHEMBL1706351

CNc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
RXRB P28702 2/20 0.45
RXRA P19793 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 2/20 0.42
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
POLB P06746 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL26544451 0.84 NR1H4 (0.50) CYP1A2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL9691004 0.84 CYP1A2 (0.47) CYP1A2RXRBRXRAALDH1A1NPC1
SCHEMBL13206915 0.84 RAB9A (0.42) CYP1A2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL709947 0.83 HSD17B10 (0.47) CYP1A2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL15154757 0.82 NPC1 (0.58) CYP1A2RXRBRXRAALDH1A1NPC1
SCHEMBL28156075 0.82 RAB9A (0.51) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL27762519 0.81 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL2176205 0.81 NPC1 (0.56) CYP1A2RXRBRXRAALDH1A1NPC1
SCHEMBL377804 0.81 MYC (0.58) CYP1A2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL29400790 0.80 KDM4C (0.50) ALDH1A1KMT2AMEN1MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20220033388-A1 HDAC1,2 Inhibitors REGENACY PHARMACEUTICALS, LLC 2022-02-03 US disclosed
EP-3856174-A1 HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2021-08-04 EP disclosed
WO-2020068950-A1 HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2020-04-02 WO disclosed
EP-2804849-B1 AMINO PHOTO-REACTIVE BINDER ALLNEX Belgium SA (BE) 2018-06-27 EP disclosed
US-10005717-B2 Photo-reactive binder ALLNEX BELGIUM S.A. (BE) 2018-06-26 US disclosed
US-10000446-B2 Amino photo-reactive binder ALLNEX BELGIUM S.A. (BE) 2018-06-19 US disclosed
EP-2804914-B1 PHOTO-REACTIVE BINDER ALLNEX Belgium SA (BE) 2016-07-20 EP disclosed
EP-2804849-A1 AMINO PHOTO-REACTIVE BINDER Allnex Belgium, S.A. (BE) 2014-11-26 EP disclosed
US-20140335327-A1 AMINO PHOTO-REACTIVE BINDER ALLNEX BELGIUM S.A. (BE) 2014-11-13 US disclosed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
EP-1062209-A4 METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES NAIR MADHAVAN G (US) 2002-02-27 EP disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
US-6291673-B1 Folic acid derivatives PURDUE RESEARCH FOUNDATION 2001-09-18 US disclosed
EP-1062209-A1 METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES NAIR, Madhavan G. (US) 2000-12-27 EP disclosed
WO-1999036409-A1 METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES NAIR MADHAVAN G (US) 1999-07-22 WO disclosed
US-5912251-A ENZYME INHIBITORS CHELSEA THERAPEUTICS, INC. 1999-06-15 US disclosed
WO-1999020626-A1 FOLIC ACID DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 1999-04-29 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 (6 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-20140335327-A1 AMINO PHOTO-REACTIVE BINDER ADGRE5, METTL14, CD79B CYP1A2 2455/4885RXRB 3482/4885RXRA 3540/4885
US-10000446-B2 Amino photo-reactive binder ADGRE5, GP6, CD79B CYP1A2 2430/4885RXRB 3533/4885RXRA 3534/4885
US-10005717-B2 Photo-reactive binder CD79B, ADGRE5, GP6 CYP1A2 2129/4885RXRB 2085/4885RXRA 2320/4885
US-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 CYP1A2 3185/4885RXRB 2455/4885RXRA 2582/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 CYP1A2 3185/4885RXRB 2455/4885RXRA 2582/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP CYP1A2 1016/4885RXRB 4084/4885RXRA 4137/4885

“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.