SCHEMBL8923910

SCHEMBL8923910

O=C(O)c1ccccc1C(=O)c1cccc(O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALDH1A1 P00352 3/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA7 P43166 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HMGB1 P09429 1/20 0.59
HPGD P15428 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
CDC25B P30305 5/20 0.56
ALOX15 P16050 1/20 0.56
AKR1C3 P42330 1/20 0.55

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
SCHEMBL22939095 0.90 SELL (0.67) KMT2ACYP3A4CYP2C9ALDH1A1CA12
Phthalic Acid SCHEMBL28580253 0.87 ALDH1A1 (0.70) KMT2ACYP3A4CYP2C9ALDH1A1CA12
Phthalic Acid SCHEMBL28580250 0.87 ALDH1A1 (0.70) KMT2ACYP3A4CYP2C9ALDH1A1CA12
SCHEMBL245254 0.87 FNTA (0.58) KMT2ACYP3A4CYP2C9ALDH1A1CA12
SCHEMBL9686287 0.85 SELL (0.66) KMT2ACYP3A4CYP2C9ALDH1A1CA12
SCHEMBL1334176 0.85 ALDH1A1 (0.74) KMT2ACYP3A4CYP2C9ALDH1A1CA12
SCHEMBL30740067 0.85 LIG1 (0.55) KMT2ACYP3A4CYP2C9ALDH1A1CA12
SCHEMBL301928 0.85 LIG1 (0.55) KMT2ACYP3A4CYP2C9ALDH1A1CA12
2,3-Dihydroxybenzoic Acid SCHEMBL10534711 0.85 ALDH1A1 (0.67) KMT2ACYP3A4CYP2C9ALDH1A1CA12
2,3-Dihydroxybenzoic Acid SCHEMBL37458 0.85 SELL (0.70) KMT2AALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods THE UNIVERSITY OF CHICAGO (US) 2019-09-17 US disclosed
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 US disclosed
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 US disclosed
US-5637733-A Syntheses of fluorescein compounds with excess resorcinol as a solvent WARNER-JENKINSON COMPANY, INC. (US) 1997-06-10 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-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods DNPEP, PTMS, CTH KMT2A 3156/4885CYP3A4 418/4885CYP2C9 526/4885
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS DNPEP, PTMS, CTH KMT2A 3156/4885CYP3A4 418/4885CYP2C9 526/4885

“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.