SCHEMBL25801814

SCHEMBL25801814

CCCCCc1ccc(CC(=N)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52
TST Q16762 1/20 0.52

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
SCHEMBL24802224 0.95 ALDH1A1 (0.55) ALDH1A1CYP3A4ESR1ADRA2AADORA3
SCHEMBL23578295 0.87 POLB (0.46) ALDH1A1CYP3A4HSD17B10KDM4EHIF1A
SCHEMBL23588097 0.79 CYP1A2 (0.67) ALDH1A1KDM4ELMNAHIF1ACYP2D6
SCHEMBL23578180 0.79 ESR1 (0.52) ALDH1A1CYP3A4ESR1ADRA2AADORA3
SCHEMBL23588035 0.78 XIAP (0.45) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL15176438 0.77 ESR1 (0.55) ALDH1A1CYP3A4ESR1ADRA2AADORA3
SCHEMBL1325567 0.77 ESR1 (0.55) ALDH1A1CYP3A4ESR1ADRA2AADORA3
SCHEMBL16934111 0.77 ESR1 (0.55) ALDH1A1CYP3A4ESR1ADRA2AADORA3
SCHEMBL16934340 0.77 ESR1 (0.55) ALDH1A1CYP3A4ESR1ADRA2AADORA3
SCHEMBL16934090 0.77 ESR1 (0.55) ALDH1A1CYP3A4ESR1ADRA2AADORA3

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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 ALDH1A1 134/4885CYP3A4 2364/4885ESR1 4296/4885

“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.