SCHEMBL6510001

SCHEMBL6510001

O=C(O)Cc1c[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
TSHR P16473 2/20 0.62
CYP2C9 P11712 2/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TRPV1 Q8NER1 5/20 0.54
CDK2 P24941 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
MTNR1A P48039 3/20 0.48
ICMT O60725 1/20 0.47

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
SCHEMBL3223154 0.83 TRPV1 (0.55) KDM4ETSHRNFKB1PMP22NPSR1
Oxalic Acid SCHEMBL2540213 0.82 CYP1A2 (0.68) KDM4ETSHRCYP2C9NFKB1PMP22
SCHEMBL674415 0.82 KDM4E (1.00) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL4501048 0.82 KDM4E (0.74) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL1379245 0.81 KDM4E (0.50) KDM4ETSHRCYP2C9ALDH1A1LMNA
SCHEMBL25282407 0.81 TRPV1 (0.69) KDM4EALDH1A1HPGDPMP22TRPV1
SCHEMBL9662031 0.81 CYP2D6 (0.68) TSHRCYP2C9NFKB1PMP22NPSR1
SCHEMBL31375050 0.80 NR4A2 (0.55) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL24855664 0.80 TRPV1 (0.49) KDM4ETSHRNFKB1PMP22NPSR1
SCHEMBL15747755 0.80 KDM4E (0.75) KDM4ETSHRCYP2C9ALDH1A1LMNA

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 KDM4E 1795/4885TSHR 823/4885CYP2C9 2407/4885

“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.