SCHEMBL18868786

SCHEMBL18868786

CCC(C)/N=C(\C=C(/NC)c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 2/20 0.33
▸ HPGD P15428 3/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ PGR P06401 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ GLA P06280 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
SCHEMBL19831082 0.77 TDP1 (0.35) ALDH1A1TSHRATMGLATDP1
SCHEMBL11854840 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRRAB9AATM
SCHEMBL24775105 0.72 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRCYP1A2RAB9A
SCHEMBL26372467 0.71 PGR (0.43) ALDH1A1TSHRRAB9AATMHPGD
SCHEMBL19356153 0.71 PGR (0.43) ALDH1A1TSHRRAB9AATMHPGD
SCHEMBL18868797 0.70 GLA (0.35) ALDH1A1CYP3A4TSHRRAB9AATM
SCHEMBL19098526 0.70 LMNA (0.46) ALDH1A1CYP1A2RAB9AATMHTR2A
SCHEMBL21131688 0.69 KMT2A (0.36) ALDH1A1CYP3A4TSHRRAB9AATM
SCHEMBL23253616 0.69 ATM (0.35) ALDH1A1CYP3A4TSHRRAB9AATM
SCHEMBL23193036 0.68 NFE2L2 (0.38) ALDH1A1TSHRATMTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — 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 (3 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF ALDH1A1 1461/4885CYP3A4 519/4885TSHR 4417/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885CYP3A4 2731/4885TSHR 4518/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885CYP3A4 2731/4885TSHR 4518/4885

“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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