SCHEMBL9685241

SCHEMBL9685241

O=C(O)C=C(Oc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.40
RAD51 Q06609 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
HTT P42858 2/20 0.38
ELANE P08246 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL8228620 1.00 TDP1 (0.42) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL10792060 1.00 TDP1 (0.42) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL9683417 0.82 KMT2A (0.41) ATMALOX15KDM4EALDH1A1
SCHEMBL9683421 0.82 KMT2A (0.41) ATMALOX15KDM4EALDH1A1
SCHEMBL1004802 0.81 ATM (0.44) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL1004800 0.81 ATM (0.44) TDP1ATML3MBTL1ALOX15HPGD
SCHEMBL11128324 0.80 HTT (0.36) TDP1ATML3MBTL1ALOX15MAOB
SCHEMBL9018477 0.80 KMT2A (0.49) MAPTALDH1A1
SCHEMBL6191253 0.80 NR4A1 (0.51) ALDH1A1
SCHEMBL6191252 0.80 NR4A1 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1221374-A None JP disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-5171865-A Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-15 US disclosed
EP-0331078-A2 Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-09-06 EP disclosed
JP-H01221374-A PRODUCTION OF 4-OXO-1-BENZOPYRAN-2-CARBOXYLIC ACID DERIVATIVE HAVING OPTICAL ACTIVITY, INTERMEDIATE FOR SYNTHESIZING SAID DERIVATIVE AND PRODUCTION OF SAID INTERMEDIATE SANWA KAGAKU KENKYUSHO CO LTD 1989-09-04 JP disclosed
EP-0123321-B1 PROCESS FOR RETICULATING ORGANOPOLYSILOXANE COMPOSITIONS Wacker-Chemie GmbH (DE) 1987-03-25 EP disclosed
EP-0123321-A2 Process for reticulating organopolysiloxane compositions Wacker-Chemie GmbH (DE) 1984-10-31 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 (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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 TDP1 1654/4885ATM 1759/4885L3MBTL1 3943/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C TDP1 1930/4885ATM 1846/4885L3MBTL1 4059/4885

“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.