SCHEMBL2018232

SCHEMBL2018232

CCCCc1ccc(C(C)C(C)c2ccc(O)c(C(C)C(C)c3ccc(CCCC)c(CCCC)c3CCCC)c2C(C)C(C)c2ccc(CCCC)c(CCCC)c2CCCC)c(CCCC)c1CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.43
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GCGR P47871 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ CTSG P08311 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
SCHEMBL2019389 0.89 TYR (0.38) TYRHTTMEN1KMT2ATP53
SCHEMBL1841110 0.89 TYR (0.41) TYRHTTMEN1KMT2ATP53
SCHEMBL2021097 0.89 PRKCI (0.36) TYRHTTMEN1KMT2ATP53
SCHEMBL2025171 0.85 TYR (0.40) TYRHTTMEN1KMT2ATP53
SCHEMBL2021813 0.84 TYR (0.43) TYRHTTMEN1KMT2ATP53
SCHEMBL2019503 0.84 TYR (0.43) TYRHTTMEN1KMT2ATP53
SCHEMBL2020279 0.82 CYSLTR2 (0.39) TYRTSHR
SCHEMBL2023850 0.82 TYR (0.44) TYRHTTMEN1KMT2ATP53
SCHEMBL2022483 0.78 TSHR (0.33) TSHRGCGR
SCHEMBL1842928 0.78 TSHR (0.36) TYRTSHRGCGRELANECTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 — — 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 (1 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TYR 886/4885HTT 423/4885MEN1 1966/4885

“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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