SCHEMBL6449650

SCHEMBL6449650

COC(Oc1ccccc1C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
LPAR1 Q92633 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL8434636 0.81 KMT2A (0.47) KMT2ALPAR1L3MBTL1KCNK3KCNK9
SCHEMBL8935700 0.81 KMT2A (0.66) KMT2ALPAR1L3MBTL1MEN1CYP1A2
SCHEMBL8935695 0.81 KMT2A (0.66) KMT2ALPAR1L3MBTL1MEN1CYP1A2
SCHEMBL5861162 0.75 SMN1; SMN2 (0.46) KMT2AL3MBTL1MEN1LMNAPPARA
SCHEMBL9774322 0.75 SLC6A3 (0.55) KMT2AL3MBTL1GAAPOLBHTT
SCHEMBL7507474 0.75 PTGS2 (0.50) KMT2AL3MBTL1CYP1A2CYP2C19GAA
SCHEMBL1628567 0.74 GAA (0.47) KMT2AMEN1CYP1A2CYP2C19GAA
Hydrogen Peroxide SCHEMBL8008634 0.73 KDM4E (0.58) KMT2AL3MBTL1MEN1CYP1A2CYP2C19
SCHEMBL9979219 0.73 TSHR (0.49) KMT2ALPAR1L3MBTL1MEN1CYP1A2
SCHEMBL4293432 0.72 GABRA1 (0.46) KMT2ALPAR1L3MBTL1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177190-B1 USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI CHEM PHARM (IT) 2005-11-02 EP disclosed
US-6953800-B2 Use of selective antagonists of the α1B-adrenergic receptor for improvement of sexual dysfunction RECORDATI S.A. CHEMICAL (CH) 2005-10-11 US disclosed
US-20020161009-A1 Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction RECORDATI S.A. 2002-10-31 US disclosed
EP-1177190-A2 USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-02-06 EP disclosed
US-6303606-B1 FOR THERAPY OF SEXUAL DISORDERS RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-16 US disclosed
EP-0750614-B1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI CHEM PHARM (CH) 2001-05-23 EP disclosed
WO-2000067735-A2 USE OF SELECTIVE ANTAGONISTS OF THE α1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2000-11-16 WO disclosed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US disclosed
EP-0750614-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1997-01-02 EP disclosed
WO-1995025726-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING α-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-09-28 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-20020161009-A1 Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction ADRA1B, ADRA2B, ADRB2 KMT2A 3393/4885LPAR1 621/4885L3MBTL1 2916/4885

“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.