SCHEMBL19806082

SCHEMBL19806082

CC(C)(C)c1ccc2c(c1)CCC2CC(C)(C)c1cccc2nsnc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ BDKRB1 P46663 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL23862469 0.72 HTR6 (0.40) TRPV1TRPV4MAPK1ALDH1A1PPARG
SCHEMBL21577671 0.68 MAPT (0.36) KMT2ATSHRALDH1A1POLBSMN1; SMN2
SCHEMBL19177266 0.68 KDM4E (0.46) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3439599 0.67 MAPT (0.57) KMT2ATSHRALDH1A1POLBSMN1; SMN2
SCHEMBL8014420 0.66 ESR1 (0.40) TRPV1TRPV4PPARGPPARA
SCHEMBL20439222 0.65 KDM4E (0.40) KMT2APKMALDH1A1POLBSMN1; SMN2
SCHEMBL8015012 0.65 PPARD (0.39) TRPV1TRPV4PPARGPPARA
SCHEMBL8037397 0.64 PPARD (0.57) PPARGPPARA
SCHEMBL7037211 0.62 ESR1 (0.37) TRPV1TRPV4PPARGPPARA
SCHEMBL21895251 0.62 KDM4E (0.48) KMT2AALDH1A1POLBSMN1; SMN2

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-10202354-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 — — 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 (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-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B TRPV1 3727/4885TRPV4 4269/4885KMT2A 29/4885
US-10202354-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B TRPV1 3727/4885TRPV4 4269/4885KMT2A 29/4885

“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.

Send feedback