SCHEMBL6766301

SCHEMBL6766301

CC1OC(C)(C)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.61
TDP2 O95551 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3526245 0.76 PGR (1.00) PGRTDP2TDP1MMP2MMP9
SCHEMBL28471286 0.72 TSHR (0.73) PGRTDP1LMNAMAPTNPC1
SCHEMBL6540904 0.71 PGR (0.61) PGRTDP2TDP1MMP2MMP9
SCHEMBL6539077 0.71 PGR (0.61) PGRTDP2TDP1MMP2MMP9
SCHEMBL6541741 0.71 PGR (0.61) PGRTDP2TDP1MMP2MMP9
SCHEMBL10715133 0.71 PGR (0.72) PGRTDP2MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6539451 0.70 PGR (0.60) PGRTDP2TDP1MMP2MMP9
SCHEMBL6738366 0.70 TSHR (0.76) PGRTDP1LMNAMAPTNPC1
SCHEMBL7648999 0.70 PGR (0.54) PGRTDP2TDP1ALDH1A1
SCHEMBL11392461 0.68 TSHR (0.73) PGRTDP1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 PGR 1/4885TDP2 4476/4885TDP1 4197/4885

“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.