SCHEMBL4540489

SCHEMBL4540489

Nc1ccc(-c2cccc(Cl)c2)cc1C(O)(C1CC1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.65
ALOX5 P09917 1/20 0.41
BACE1 P56817 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAP4K4 O95819 4/20 0.40
ESR2 Q92731 1/20 0.39
MAOB P27338 2/20 0.38
JAK2 O60674 1/20 0.38
PDK2 Q15119 1/20 0.35
LIMK1 P53667 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIM1 P11309 3/20 0.34

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
SCHEMBL4367637 0.86 PGR (0.70) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL4352812 0.82 PGR (0.60) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL6770087 0.79 PGR (1.00) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL4357762 0.75 PGR (0.67) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL4357757 0.73 PGR (0.68) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL6013810 0.70 PGR (0.67) PGRALOX5TAAR1ESR2MAOB
SCHEMBL5844964 0.70 ALOX5 (0.69) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL7969111 0.69 CYP3A4 (0.68) PGRALOX5BACE1TAAR1MAP4K4
SCHEMBL4160418 0.69 PGR (0.47) PGRALOX5TAAR1ESR2JAK2
Methane SCHEMBL11773808 0.68 CYP3A4 (0.65) PGRALOX5BACE1TAAR1MAP4K4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
EP-1173210-B1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC WYETH CORP (US) 2004-09-15 EP disclosed
US-6759408-B2 CYCLIC COMBINATION THERAPIES AND REGIMENS UTILIZING SUBSTITUTED INDOLINE DERIVATIVE COMPOUNDS WHICH ARE ANTAGONISTS OF THE PROGESTERONE RECEPTOR WYETH 2004-07-06 US disclosed
US-6713478-B2 SUCH AS 8-BROMO-6-(3-CHLORO-4-FLUOROPHENYL)-4,4-DIMETHYL-1,4-DIHYDRO-2H-3,1 -BENZOXAZIN-2-ONE; PROGESTERONE RECEPTOR ANTAGONISTS WYETH 2004-03-30 US disclosed
US-6566358-B2 1,4-dihydro-benzo(d)oxazin-2-one derivatives useful for treating hormone-dependent neoplastic disease is selected from uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy, carcinomas, and adenocarcinoma WYETH 2003-05-20 US disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO 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-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR PGR 2/4885ALOX5 2084/4885BACE1 4851/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 PGR 5/4885ALOX5 2187/4885BACE1 3521/4885

“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.