SCHEMBL5830293

SCHEMBL5830293

C=CCc1c(Cl)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 5/20 0.50
AKR1B1 P15121 1/20 0.47
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
PBRM1 Q86U86 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL10930849 0.88 HPGD (0.46) TSHRALDH1A1AKR1B1HPGDCYP1A2
SCHEMBL1758773 0.87 ALDH1A1 (0.46) TSHRALDH1A1HPGDKMT2AMAPT
SCHEMBL28973887 0.85 ALDH1A1 (0.44) TSHRALDH1A1HPGDKMT2AMAPT
SCHEMBL461024 0.83 MMP2 (0.50) TSHRALDH1A1KMT2AMAPTCYP3A4
SCHEMBL16908685 0.82 TSHR (0.40) TSHRALDH1A1AKR1B1HPGDCYP1A2
SCHEMBL7722846 0.82 HPGD (0.42) TSHRALDH1A1AKR1B1HPGDCYP1A2
SCHEMBL2361001 0.81 GABRA1 (0.46) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL1479090 0.81 ALDH1A1 (0.48) TSHRALDH1A1HPGDCYP1A2KMT2A
SCHEMBL9614734 0.79 KDM4E (0.43) TSHRALDH1A1HPGDKMT2AMAPT
SCHEMBL18929968 0.79 ALDH1A1 (0.50) TSHRALDH1A1AKR1B1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO 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-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TSHR 213/4885ALDH1A1 775/4885AKR1B1 748/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TSHR 192/4885ALDH1A1 834/4885AKR1B1 739/4885

“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.