SCHEMBL6510085

SCHEMBL6510085

Cc1cc(F)c2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
GPR84 Q9NQS5 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MPO P05164 2/20 0.40
PTGS2 P35354 1/20 0.38
GCGR P47871 1/20 0.38
MPL P40238 1/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL14487642 0.84 GPR84 (0.65) TSHRGPR84ALDH1A1LMNAHPGD
SCHEMBL6512206 0.82 TSHR (0.49) TSHRGPR84ALDH1A1LMNAHPGD
SCHEMBL5066540 0.75 GPR84 (0.65) TSHRGPR84ALDH1A1LMNAHPGD
SCHEMBL24693520 0.74 GPR84 (0.46) GPR84MPO
SCHEMBL6116786 0.72 TSHR (0.69) TSHRALDH1A1LMNAHPGDGLA
SCHEMBL28773425 0.72 PTGS1 (0.44) TSHRHPGDPTGS2MAPTALOX15
SCHEMBL29605427 0.72 PTGS1 (0.44) TSHRHPGDPTGS2MAPTALOX15
SCHEMBL29651073 0.71 TSHR (0.67) TSHRGPR84ALDH1A1LMNAHPGD
SCHEMBL14484644 0.71 TSHR (0.67) TSHRGPR84ALDH1A1LMNAHPGD
SCHEMBL16727201 0.71 GPR84 (0.40) GPR84ALDH1A1LMNAMPOGCGR

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
US-20050203166-A1 Indole-3-acetic acid derivatives CANCER RESEARCH TECHNOLOGY LIMITED 2005-09-15 US disclosed
US-6890948-B1 Use of indole-3-acetic acid derivatives in medicine CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-05-10 US disclosed
EP-1296676-B1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER REC TECH LTD (GB) 2004-01-28 EP disclosed
EP-1296676-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE Cancer Research Technology Limited (GB) 2003-04-02 EP disclosed
WO-2002002110-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-10 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 (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-20050203166-A1 Indole-3-acetic acid derivatives ADCY3, GPR3, HCAR3 TSHR 823/4885GPR84 217/4885ALDH1A1 176/4885

“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.