SCHEMBL6507757

SCHEMBL6507757

Cc1cc(C)cc(OC(C)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
TPMT P51580 1/20 0.41
APEX1 P27695 1/20 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
SCHEMBL14121949 0.87 TDP1 (0.53) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL14157664 0.83 TDP1 (0.49) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL8406844 0.82 TDP1 (0.61) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL20832771 0.82 TDP1 (0.61) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL30360591 0.82 TDP1 (0.61) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL1927200 0.82 TDP1 (0.70) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL11714089 0.80 TDP1 (0.44) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL1713795 0.79 CYP1A2 (0.67) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL4651678 0.79 CYP1A2 (0.67) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL7267831 0.79 TPMT (0.41) TDP1ALDH1A1HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146176-B GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-11-15 CN disclosed
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
WO-2012170561-A1 N-BENZYLINDOLE MODULATORS OF PPARG THE SCRIPPS RESEARCH INSTITUTE (T.S.R.I.) (US) 2012-12-13 WO disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
EP-0413839-A1 GHRH analogs The Administrators of The Tulane Educational Fund (US) 1991-02-27 EP disclosed
US-4914189-A STIMULATES RELEASE OF GROWTH HORMONE THE ADMINSTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1990-04-03 US disclosed
EP-0277626-A2 Synthetic GHRH analogs The Administrators of The Tulane Educational Fund (US) 1988-08-10 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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI TDP1 2288/4885CYP1A2 121/4885GAA 69/4885

“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.