SCHEMBL21985348

SCHEMBL21985348

CCCCCC(C)CCCCNC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.64
ACE2 Q9BYF1 1/20 0.45
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
ADH1B P00325 2/20 0.38
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 2/20 0.38
ADH7 P40394 2/20 0.38
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36

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
SCHEMBL30686661 0.98 EPHX1 (0.68) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL24999126 0.98 EPHX1 (0.68) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL21084325 0.98 EPHX1 (0.68) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL25654170 0.98 EPHX1 (0.68) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL26384915 0.98 EPHX1 (0.68) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL18758414 0.95 EPHX1 (0.56) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL27334711 0.95 EPHX1 (0.56) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL19198224 0.95 EPHX1 (0.56) EPHX1ACE2OPRM1ALDH1A1TSHR
SCHEMBL19427053 0.93 EPHX1 (0.61) EPHX1ACE2OPRM1TSHRLMNA
SCHEMBL21478008 0.91 EPHX1 (0.50) EPHX1ACE2OPRM1ALDH1A1TSHR

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
EP-3650450-B1 CRYSTAL FORM II OF THIENOPYRIDINE DERIVATIVE BISULFATE AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHONGRONG KAITE BEIJING BIOTECHNOLOGY CO LTD (CN) 2021-07-21 EP disclosed
US-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2021-04-20 US disclosed
EP-3650450-A1 CRYSTAL FORM II OF THIENOPYRIDINE DERIVATIVE BISULFATE AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhongrong Kaite (Beijing) Biotechnology Co. Ltd. (CN) 2020-05-13 EP 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-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR EPHX1 4779/4885ACE2 3052/4885OPRM1 4108/4885

“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.