SCHEMBL6950163

SCHEMBL6950163

CC(C)(CC(=O)C(=O)O)c1ccccc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
HIF1A Q16665 1/20 0.38
ERCC5 P28715 5/20 0.35
FEN1 P39748 5/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
CYP2C9 P11712 2/20 0.33
RBP4 P02753 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
HAO1 Q9UJM8 2/20 0.32

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
SCHEMBL4823384 0.79 FEN1 (0.45) CYP2C19HIF1AERCC5FEN1PTPN1
SCHEMBL3533731 0.79 CYP2C19 (0.38) CYP2C19HIF1AERCC5FEN1PTPN1
SCHEMBL3535049 0.76 CYP2C19 (0.53) CYP2C19HIF1AERCC5FEN1PTPN1
SCHEMBL27658469 0.74 TSHR (0.37) HIF1AALDH1A1CYP2C9CYP1A2TDP1
SCHEMBL6945440 0.73 TPMT (0.39) CYP2C19HIF1AERCC5FEN1PTPN1
Acetic Acid SCHEMBL27880107 0.72 ALDH1A1 (0.45) KDM4EALDH1A1GAARBP4MAPT
SCHEMBL29258056 0.72 KMT2A (0.41) CYP2C19HIF1AALDH1A1CYP2C9RBP4
SCHEMBL6946377 0.71 CYP2C19 (0.41) CYP2C19HIF1AALDH1A1CYP2C9CYP1A2
SCHEMBL3535929 0.70 NR1H4 (0.37) GAAHPGDCYP3A4
SCHEMBL5642207 0.69 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US claimed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US 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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 CYP2C19 646/4885HIF1A 960/4885ERCC5 2874/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 CYP2C19 553/4885HIF1A 1208/4885ERCC5 2684/4885

“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.