SCHEMBL1869090

SCHEMBL1869090

Cc1[c]cc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
SRD5A2 P31213 3/20 0.45
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL2680684 0.82 MAPT (0.41) ALDH1A1SMN1; SMN2TDP1HPGDMAPT
SCHEMBL11145825 0.80 PARP10 (0.42) ALDH1A1SMN1; SMN2TSHRCA1CA2
SCHEMBL4774336 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2SRD5A2TDP1HPGD
SCHEMBL3278080 0.77 PGR (0.34) ALDH1A1SMN1; SMN2CA2KDM4EMEN1
SCHEMBL578580 0.76 TSHR (0.52) ALDH1A1SMN1; SMN2TSHRTP53SRD5A2
SCHEMBL2780243 0.74 TSHR (0.50) ALDH1A1SMN1; SMN2TSHRTP53SRD5A2
SCHEMBL6631569 0.73 TSHR (0.48) ALDH1A1SMN1; SMN2TSHRTP53SRD5A2
SCHEMBL185207 0.73 TSHR (0.48) ALDH1A1SMN1; SMN2TSHRTP53SRD5A2
SCHEMBL4957915 0.73 TSHR (0.48) ALDH1A1SMN1; SMN2TSHRTP53SRD5A2
SCHEMBL9901799 0.72 CA12 (0.42) ALDH1A1CA12CA9HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
US-5281263-A Disazo dyes for inks printed paper IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US claimed
US-20210094907-A1 SMALL MOLECULES FOR DISRUPTING THE SUPER ELONGATION COMPLEX AND INHIBITING TRANSCRIPTION ELONGATION FOR CANCER THERAPY NORTHWESTERN UNIVERSITY 2021-04-01 US disclosed
WO-2019183373-A1 SMALL MOLECULES FOR DISRUPTING THE SUPER ELONGATION COMPLEX AND INHIBITING TRANSCRIPTION ELONGATION FOR CANCER THERAPY NORTHWESTERN UNIVERSITY (US) 2019-09-26 WO disclosed
EP-2824101-B1 NOVEL COMPOUND, AND SUPPORT MATERIAL HAVING SAID NOVEL COMPOUND SUPPORTED THEREON ADEKA CORP (JP) 2018-05-09 EP disclosed
US-9496095-B2 Compound and carrier system having the compound ADEKA CORPORATION (JP) 2016-11-15 US disclosed
CN-105131152-A Marine organism polysaccharide copper compound, preparation thereof and application of marine organic polysaccharide copper compound serving as agricultural bactericide INST OCEANOLOGY CHINESE ACAD 2015-12-09 CN disclosed
EP-2824101-A1 NOVEL COMPOUND, AND SUPPORT MATERIAL HAVING SAID NOVEL COMPOUND SUPPORTED THEREON Adeka Corporation (JP) 2015-01-14 EP disclosed
US-20140353553-A1 NOVEL COMPOUND AND CARRIER SYSTEM HAVING THE COMPOUND ADEKA CORPORATION (JP) 2014-12-04 US disclosed
US-8741932-B2 Imidazopyridine derivatives Piramal Enterprises Limited (IN) 2014-06-03 US disclosed
US-5281263-A Disazo dyes for inks printed paper IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US disclosed
US-5279656-A Containing sulpho or carboxy group IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0572419-A1 ANIONIC DISAZO DYES. ZENECA LTD (GB) 1993-12-08 EP disclosed
EP-0559310-A1 Ink compositions ZENECA LIMITED (GB) 1993-09-08 EP disclosed
EP-0542420-A1 Anionic xanthene derivatives and their use in inks ZENECA LIMITED (GB) 1993-05-19 EP disclosed
US-5189154-A Ink jet printing dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
WO-1992013037-A1 ANIONIC DISAZO DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-06 WO disclosed
EP-0468649-A1 Anionic compounds ZENECA LIMITED (GB) 1992-01-29 EP 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 (1 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-20210094907-A1 SMALL MOLECULES FOR DISRUPTING THE SUPER ELONGATION COMPLEX AND INHIBITING TRANSCRIPTION ELONGATION FOR CANCER THERAPY SUB1, ELL, MED16 ALDH1A1 4571/4885SMN1; SMN2 1517/4885TSHR 3478/4885

“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.