SCHEMBL2632416

SCHEMBL2632416

CCOC(=O)CCc1ccc(OC)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
HPGD P15428 1/20 0.51
FFAR4 Q5NUL3 3/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 2/20 0.47
CYP4Z1 Q86W10 1/20 0.47
FFAR2 O15552 1/20 0.46
DRD2 P14416 1/20 0.46
ALOX5 P09917 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
OR51E2 Q9H255 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45

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
SCHEMBL491276 0.89 CYP4F2 (0.59) CYP4F2CYP4A11LMNASMN1; SMN2DRD2
SCHEMBL8984891 0.88 CYP4F2 (0.58) CYP4F2CYP4A11LMNASMN1; SMN2FFAR1
SCHEMBL8912630 0.88 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL491225 0.87 CYP19A1 (0.60) CYP4F2CYP4A11LMNASMN1; SMN2ALOX5
SCHEMBL2432179 0.87 CYP4F2 (0.56) CYP4F2CYP4A11LMNASMN1; SMN2CYP4Z1
SCHEMBL2432961 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL22000638 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL4450867 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL5685284 0.85 CALM1 (0.57) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL30594197 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 US disclosed
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed
US-4612376-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-16 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 CYP4F2 1712/4885CYP4A11 3497/4885HPGD 288/4885

“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.