SCHEMBL12287643

SCHEMBL12287643

CC(Br)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12287502 0.92 NAAA (0.36) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL12287634 0.89 NAAA (0.40) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL12287758 0.89 TSHR (0.39) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL12287763 0.88 NAAA (0.33) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL12284768 0.88 NAAA (0.39) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL12287504 0.87 NAAA (0.32) NAAA
SCHEMBL12287496 0.86 TSHR (0.33) NAAATSHRNPSR1
SCHEMBL2759855 0.85 NAAA (0.38) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL879206 0.85 NAAA (0.38) NAAACYP17A1CYP19A1TSHRNPSR1
SCHEMBL18844234 0.85 TSHR (0.40) NAAACYP17A1CYP19A1TSHRNPSR1

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-20150316847-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND PHOTOSENSITIVE MATERIALS FOR PHOTORESIST OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-11-05 US disclosed
US-20150316847-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND PHOTOSENSITIVE MATERIALS FOR PHOTORESIST OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-11-05 US disclosed
US-20130022914-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND PHOTOSENSITIVE MATERIALS FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130022914-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND PHOTOSENSITIVE MATERIALS FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
WO-2011125291-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHOTOSENSITIVE MATERIAL FOR PHOTORESIST 出光興産株式会社 (JP) 2011-10-13 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 (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-20130022914-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND PHOTOSENSITIVE MATERIALS FOR PHOTORESIST CRY1, HPD, CRY2 NAAA 2518/4885CYP17A1 372/4885CYP19A1 108/4885

“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.