SCHEMBL96024

SCHEMBL96024

Cc1cc(CCl)cc(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL14870346 0.79 TTR (0.42) NPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL9709243 0.78 CA1 (0.50) ESR1ESR2ALDH1A1LMNA
SCHEMBL29932867 0.77 KDM4E (0.42) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20139840 0.77 KDM4E (0.42) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL95656 0.77 ACHE (0.46) RAPGEF4ESR1ESR2ALDH1A1
SCHEMBL16105713 0.75 RAPGEF4 (0.43) RAPGEF4ESR1ESR2NPC1ALDH1A1
SCHEMBL16105836 0.75 SHBG (0.46) RAPGEF4ESR1ESR2ALDH1A1CYP19A1
SCHEMBL4597547 0.74 DHFR (0.41) NPC1ALDH1A1LMNA
SCHEMBL1050358 0.73 CA1 (0.33)
SCHEMBL1097510 0.73 ALDH1A1 (0.40) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623046-B2 Amphiphilic Janus-dendrimers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-04-18 US disclosed
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-9371353-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2016-06-21 US disclosed
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE AJINOMOTO CO., INC. (JP) 2015-03-19 US disclosed
US-8846885-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2014-09-30 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-20120308640-A1 AMPHIPHILIC JANUS-DENDRIMERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-12-06 US disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 US disclosed
US-4312861-A Pharmaceutical compositions containing N-alkyl-N-(nuclearly-substituted) benzylamines having vasotonia-regulating activity HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-26 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 (4 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-20120308640-A1 AMPHIPHILIC JANUS-DENDRIMERS OR10J3, H1-10, CXCR3 RAPGEF4 4370/4885ESR1 1925/4885ESR2 1492/4885
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP RAPGEF4 3881/4885ESR1 3404/4885ESR2 2531/4885
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE POLRMT, POLN, RNGTT RAPGEF4 3314/4885ESR1 3518/4885ESR2 4077/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 RAPGEF4 3280/4885ESR1 3642/4885ESR2 3327/4885

“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.