SCHEMBL2201181

SCHEMBL2201181

CCCCCCCCC[CH]C(CCCCC)CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
LMNA P02545 1/20 0.41
DNM1 Q05193 3/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL28100001 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL21196910 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL28099991 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL29137408 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL15902252 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL15902253 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL27300692 1.00 TSHR (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL15544535 0.98 DNM1 (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL28950012 0.98 DNM1 (0.44) TSHRLMNADNM1THRBFAAH
SCHEMBL9416100 0.98 DNM1 (0.44) TSHRLMNADNM1THRBFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 US disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 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-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD TSHR 4571/4885LMNA 3605/4885DNM1 3972/4885

“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.