Sugi Predict

Sugi Predict / Compounds / SCHEMBL5951544

SCHEMBL5951544

SCHEMBL5951544

C[Sn](C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ SLC22A3 O75751 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5952322 0.83 MAOA (0.44) ALDH1A1KDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL5952837 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP1A2SLC22A2SLC22A1
SCHEMBL481505 0.78 ALDH1A1 (0.75) ALDH1A1CYP1A2CRHBPCRHR2SLC22A2
SCHEMBL8452262 0.78 ALDH1A1 (0.75) ALDH1A1CYP1A2CRHBPCRHR2SLC22A2
SCHEMBL4332773 0.78 ALDH1A1 (0.75) ALDH1A1CYP1A2CRHBPCRHR2SLC22A2
SCHEMBL29554408 0.74 ALDH1A1 (0.69) ALDH1A1CYP1A2CRHBPCRHR2SLC22A2
SCHEMBL5321294 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EHTTCYP1A2CRHBP
Biphenyl SCHEMBL27624573 0.74 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2CYP1A2SLC22A2SLC22A1
SCHEMBL5130299 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EHTTCYP1A2CRHBP
SCHEMBL14481975 0.72 ALDH1A1 (0.64) ALDH1A1CYP1A2CRHBPCRHR2MAOA

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-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 — — US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 — — US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 — — EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 — — US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 — — 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ALDH1A1 317/4885KDM4E 2127/4885HTT 4095/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885KDM4E 2338/4885HTT 4113/4885

“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.