SCHEMBL3897705

SCHEMBL3897705

CC/C=[C]/CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.42
NAAA Q02083 1/20 0.36
PTPN7 P35236 4/20 0.35
HMGCR P04035 1/20 0.35
KCNH2 Q12809 1/20 0.34
DNM1 Q05193 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10717466 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL27710723 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL8187522 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL8187524 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL3897707 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL9315797 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL10717470 1.00 TSHR (0.42) TSHRTHRBNAAAPTPN7HMGCR
SCHEMBL8750140 0.97
SCHEMBL3899481 0.89
SCHEMBL23647759 0.82 TSHR (0.44) TSHRTHRBHMGCRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO claimed
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed
EP-3679020-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE Hutchison Medipharma Limited (CN) 2020-07-15 EP disclosed
WO-2019047909-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2019-03-14 WO disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 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-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 TSHR 1095/4885THRB 1718/4885NAAA 898/4885

“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.