SCHEMBL23879439

SCHEMBL23879439

CCCCCNCCCCCCC(C)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
ACE2 Q9BYF1 1/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 3/20 0.41
OPRM1 P35372 1/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL21385843 1.00 TSHR (0.56) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20880056 1.00 TSHR (0.56) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL19261618 1.00 TSHR (0.56) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL19670763 1.00 TSHR (0.56) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL24086372 0.96 ALDH1A1 (0.52) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL18531304 0.96 TSHR (0.56) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL19732533 0.96 TSHR (0.50) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL22421817 0.93 TSHR (0.52) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20626518 0.93 TSHR (0.52) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL14469367 0.91 TSHR (0.56) TSHRALDH1A1ADH1BADH1CADH1A

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-11135308-B2 Maytansinoid derivatives with self-immolative peptide linkers and conjugates thereof IMMUNOGEN, INC. (US) 2021-10-05 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-11135308-B2 Maytansinoid derivatives with self-immolative peptide linkers and conjugates thereof VIP, AREG, MIF TSHR 1612/4885ALDH1A1 1927/4885ADH1B 4316/4885

“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.