SCHEMBL15088369

SCHEMBL15088369

C/N=C/C=C\c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KDM4E B2RXH2 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL1976903 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL23458039 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL23457968 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL23457969 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL23458040 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL19407361 0.83 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL1589395 0.78 ALDH1A1 (0.62) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL1035353 0.78 ALDH1A1 (0.62) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL22175190 0.77 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ERAB9AMEN1
SCHEMBL1767678 0.76 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A

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-9403861-B2 Salen complexes with dianionic counterions NOVOMER, INC. (US) 2016-08-02 — — US disclosed
US-9327280-B2 Catalytic carbonylation catalysts and methods NOVOMER, INC. (US) 2016-05-03 — — US disclosed
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-13 — — US disclosed
US-20140296522-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS Novomer, Inc (US) 2014-10-02 — — US disclosed
US-20130172524-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-07-04 — — 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-20140296522-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS CBR3, CBR1, EPHX2 ALDH1A1 181/4885TSHR 4642/4885KDM4E 448/4885
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL ALDH1A1 3519/4885TSHR 4704/4885KDM4E 4008/4885

“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.

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