SCHEMBL4599330

SCHEMBL4599330

COc1c(C)cc(I)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
APP P05067 2/20 0.34
CYP19A1 P11511 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TTR P02766 1/20 0.33
NQO2 P16083 1/20 0.33
CA9 Q16790 1/20 0.33
DHFR P00374 1/20 0.33
TPMT P51580 1/20 0.32

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
SCHEMBL12440995 0.87 TTR (0.40) ACHEALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL15183455 0.85 ACHE (0.50) ACHEALDH1A1KDM4ECYP19A1CYP3A4
SCHEMBL13605941 0.84 TDP1 (0.48) ACHEALDH1A1KDM4ETDP1CYP3A4
SCHEMBL440813 0.77 HSD17B10 (0.47) ALDH1A1KDM4ETDP1MAPTTPMT
SCHEMBL10030804 0.77 ACHE (0.43) ACHEALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL129762 0.77 ACHE (0.57) ACHEALDH1A1TDP1CYP3A4MAPT
SCHEMBL30810326 0.76 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2CA2CYP3A4
SCHEMBL4878432 0.76 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2CA2CYP3A4
SCHEMBL1530694 0.74 TTR (0.48) ACHEALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2955343 0.74 ALDH1A1 (0.56) ACHEALDH1A1CA2CYP3A4CA9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3994117-B1 HYDROGENATION OF ESTERS TO ALCOHOLS IN THE PRESENCE OF A RU-PNN COMPLEX BASF SE (DE) 2024-07-03 EP disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical THE UNIVERSITY OF HONG KONG (HK) 2020-06-16 US disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
EP-2404919-B1 Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. VERTEX PHARMA (US) 2013-08-21 EP disclosed
EP-2395002-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. Vertex Pharmaceuticals Incorporated (US) 2011-12-14 EP disclosed
EP-1581471-B9 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY DABUR RES FOUNDATION (IN) 2008-08-13 EP disclosed
EP-1581471-B1 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY DABUR RES FOUNDATION (IN) 2008-04-16 EP disclosed
US-7179937-B2 Cyclopentenone derivatives for cancer therapy DABUR RESEARCH FOUNDATION (IN) 2007-02-20 US disclosed
EP-1581471-A1 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY Dabur Research Foundation (IN) 2005-10-05 EP disclosed
WO-2004056738-A1 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY DABUR RESEARCH FOUNDATION (IN) 2004-07-08 WO disclosed
US-20030229146-A1 Cyclopentenone derivatives for cancer therapy DABUR RESEARCH FOUNDATION 2003-12-11 US 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 (2 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-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical HAGH, HADH, FECH ACHE 3133/4885ALDH1A1 334/4885KDM4E 1598/4885
US-20030229146-A1 Cyclopentenone derivatives for cancer therapy MCL1, DLD, PYCR1 ACHE 4599/4885ALDH1A1 1745/4885KDM4E 1468/4885

“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.