SCHEMBL5313383

SCHEMBL5313383

Cc1cc(C(=O)c2ccccc2C(=O)O)cc(C)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KMT2A Q03164 3/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
AKR1C3 P42330 3/20 0.61
POLB P06746 2/20 0.60
CDC25B P30305 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CDC25A P30304 1/20 0.58
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
NR4A1 P22736 1/20 0.51
ALOX15 P16050 1/20 0.50
MEN1 O00255 2/20 0.49
PSMD14 O00487 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MMP2 P08253 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9450667 0.83 ALDH1A1 (0.76) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL31333081 0.82 ALDH1A1 (1.00) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL1786654 0.82 ALDH1A1 (1.00) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL4723682 0.81 POLB (0.74) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL9618894 0.81 GABRA1 (0.59) ALDH1A1KMT2ACYP2C9ATMHPGD
Salicylic Acid SCHEMBL9678811 0.81 ALDH1A1 (0.62) ALDH1A1KMT2ACYP3A4CYP2C9HSD17B10
SCHEMBL10421181 0.81 KMT2A (0.51) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL29378415 0.79 KMT2A (0.68) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL7001733 0.79 KMT2A (0.68) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3
SCHEMBL28268608 0.79 KMT2A (0.68) ALDH1A1KMT2ACYP3A4CYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044184-A1 WATER SOLUBLE PHOTOINITIATOR ALBEMARLE CORPORATION (US) 2007-04-19 WO disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
CN-1227540-A Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity DARWIN DISCOVERY CO LTD (GB) 1999-09-01 CN 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 ALDH1A1 408/4885KMT2A 1581/4885CYP3A4 2261/4885

“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.