SCHEMBL2697348

SCHEMBL2697348

FC1(F)CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
HTR2C P28335 1/20 0.42
TBK1 Q9UHD2 1/20 0.36
KIT P10721 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33
SLC18A3 Q16572 1/20 0.33
CYP1A2 P05177 1/20 0.32
DRD2 P14416 1/20 0.32
CCR2 P41597 1/20 0.31
LMNA P02545 1/20 0.31
CYP2A6 P11509 1/20 0.31
FFAR2 O15552 1/20 0.30

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
SCHEMBL30570745 0.81 SIGMAR1 (0.33) SIGMAR1HTR2CMAOAMAOBKDM1A
SCHEMBL30407818 0.80 SIGMAR1 (0.39) SIGMAR1HTR2CTBK1TRPV3FFAR2
SCHEMBL313959 0.77 SIGMAR1 (0.51) SIGMAR1HTR2CCYP1A2DRD2
SCHEMBL30631486 0.76 HSD17B10 (0.36) TBK1KITTRPV3LMNA
SCHEMBL23419645 0.73 TPH1 (0.41) TRPV3LMNA
SCHEMBL15348111 0.73 SIGMAR1 (0.40) SIGMAR1HTR2CSLC18A3LMNA
SCHEMBL28772174 0.72 TBK1 (0.34) TBK1TRPV3
SCHEMBL15301866 0.72 SIGMAR1 (0.36) SIGMAR1HTR2C
SCHEMBL2696796 0.72 SIGMAR1 (0.39) SIGMAR1HTR2CSLC18A3
SCHEMBL7799451 0.69 SIGMAR1 (0.56) SIGMAR1HTR2CSLC18A3CYP1A2LMNA

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
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 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 (2 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-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 SIGMAR1 2853/4885HTR2C 4802/4885TBK1 2074/4885
US-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 SIGMAR1 3633/4885HTR2C 4660/4885TBK1 120/4885

“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.