SCHEMBL6766673

SCHEMBL6766673

CC1=Nc2ccc(Br)cc2C2(CCCC2)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.35
APP P05067 6/20 0.35
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
AVPR1A P37288 1/20 0.31
MALT1 Q9UDY8 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
SCHEMBL6771518 0.98 BACE1 (0.35) BACE1APPNOS3NOS1NOS2
SCHEMBL31228828 0.74 EHMT2 (0.41) BACE1APPNOS3NOS1NOS2
SCHEMBL31228866 0.73 EHMT2 (0.40) BACE1APPNOS3NOS1NOS2
SCHEMBL7484171 0.70 PGR (0.55)
SCHEMBL28558977 0.67 ADORA3 (0.41) BACE1APPNOS3NOS1NOS2
SCHEMBL6013813 0.66 EHMT2 (0.37) BACE1APPNOS3NOS1NOS2
SCHEMBL317019 0.65 MEN1 (0.39) BACE1APPNOS3NOS1NOS2
SCHEMBL15614861 0.65 BACE2 (0.33) BACE1APPBACE2AVPR1A
SCHEMBL4162748 0.65 LMNA (0.44)
SCHEMBL3883846 0.64 POLB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693103-B2 CONTRACEPTION, TREATMENT OF FIBROIDS, ANTICARCINOGENIC AND -TUMOR AGENTS (ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER), AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY; BENIGN PROSTATIC HYPERTROPHY; ADENOCARCINOMAS WYETH 2004-02-17 US disclosed
US-6498154-B1 CONTRACEPTION; PROGESTATIONAL ACTIVE LEVONORGESTREL AND AN ANTIPROGESTIN COMPOUND WYETH 2002-12-24 US disclosed
US-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2002-07-18 US disclosed
US-6358948-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS AGAINST BREAST, PITUITARY, OVARIAN, ENDOMETRIUM, AND PROSTATE CANCER; BENIGN PROSTATIC HYPERPLASIA; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-19 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-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators PGR, NR3C1, NR3C2 BACE1 4407/4885APP 4781/4885NOS3 2626/4885

“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.