SCHEMBL951420

SCHEMBL951420

O=C(CO)OCC(=O)OC12CC3CC(C1)OC(=O)C(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 2/20 0.36
NAAA Q02083 1/20 0.35
CYP17A1 P05093 1/20 0.32

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
SCHEMBL12287632 0.93 TSHR (0.47) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL948636 0.89 TSHR (0.41) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL953363 0.89 TSHR (0.41) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL12285547 0.87 TSHR (0.40) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL17753832 0.85 TSHR (0.38) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL12285543 0.85 TSHR (0.38) TSHRNPSR1CYP19A1NAAA
SCHEMBL12287463 0.85 TSHR (0.38) TSHRNPSR1CYP19A1NAAA
SCHEMBL17796024 0.85 TSHR (0.40) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL12286333 0.85 TSHR (0.40) TSHRNPSR1CYP19A1NAAACYP17A1
SCHEMBL12287465 0.85 TSHR (0.40) TSHRNPSR1CYP19A1NAAACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US claimed
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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 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
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER 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
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 US disclosed
WO-2009104753-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER 出光興産株式会社 (JP) 2009-08-27 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 (4 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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885NPSR1 4884/4885CYP19A1 2018/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885NPSR1 4884/4885CYP19A1 2018/4885
US-20130022914-A1 HOMOADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND PHOTOSENSITIVE MATERIALS FOR PHOTORESIST CRY1, HPD, CRY2 TSHR 1142/4885NPSR1 142/4885CYP19A1 108/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885NPSR1 4884/4885CYP19A1 2018/4885

“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.