SCHEMBL301645

SCHEMBL301645

Cc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
DRD1 P21728 2/20 0.44
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
MYC P01106 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ALDH1A1 P00352 3/20 0.33
CYP2A6 P11509 2/20 0.33
CD44 P16070 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
TOP1 P11387 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL29366742 1.00 TDP1 (0.46) TDP1CYP3A4DRD1TSHRACHE
SCHEMBL30142870 1.00 TDP1 (0.46) TDP1CYP3A4DRD1TSHRACHE
SCHEMBL12394364 0.98 TDP1 (0.44) TDP1CYP3A4DRD1TSHRACHE
SCHEMBL9267935 0.98 TDP1 (0.44) TDP1CYP3A4DRD1TSHRACHE
SCHEMBL10805185 0.98 TDP1 (0.44) TDP1CYP3A4DRD1TSHRACHE
Hydrochloric Acid SCHEMBL3452761 0.96 CYP3A4 (0.42) TDP1CYP3A4DRD1TSHRACHE
SCHEMBL9490734 0.94 DRD1 (0.41) TDP1CYP3A4DRD1TSHRACHE
Perchlorate SCHEMBL9484540 0.92 DRD1 (0.40) TDP1CYP3A4DRD1TSHRACHE
Perchlorate SCHEMBL10466526 0.92 DRD1 (0.40) TDP1CYP3A4DRD1TSHRACHE
SCHEMBL19266729 0.91 DRD1 (0.39) TDP1CYP3A4DRD1TSHRACHE

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 416 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856738-B1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST QUIM SINTETICA S A (ES) 2025-03-19 EP claimed
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist Química Sintética, S.A. (ES) 2022-10-11 US claimed
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2022-02-03 US claimed
CN-105899492-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-08-24 CN claimed
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 EP claimed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 WO claimed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP claimed
US-8436181-B2 Production process of optically active 3-quinuclidinol derivative NIPPON SODA CO., LTD. (JP) 2013-05-07 US claimed
EP-1840116-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2012-10-03 EP claimed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US claimed
EP-0974590-A1 Process for the preparation of chiral lactones by asymetrical hydrogenation F. HOFFMANN-LA ROCHE AG (CH) 2000-01-26 EP claimed
US-5929265-A REACTING 2-NORBORNENE AND ANILINE TO YIELD 2-PHENYLAMINO-NORBORNANE; DURABILITY; HIGH OPTICAL YIELDS; KINETICS; ALSO EFFECTING CYCLIZATION AS WHEN PRODUCING INDOLINES FROM ORTHO-ALKENYL-SUBSTITUTED ANILINES LONZA AG 1999-07-27 US claimed
US-5902882-A ASYMMETRICALLY HYDROGENATING AN AZEPINE COMPOUND IN THE PRESENCE OF A RUTHENIUM-DIPHOSPHINE COMPLEX CATALYST HOFFMANN-LA ROCHE INC. (US) 1999-05-11 US claimed
EP-0909762-A2 Binuclear Iridium(I) phosphine complexes and their use as catalysts for the asymmetric hydroamination of olefins LONZA A.G. (CH) 1999-04-21 EP claimed
EP-0802190-A1 Process and intermediates for preparing azepines F. HOFFMANN-LA ROCHE AG (CH) 1997-10-22 EP claimed
EP-0492401-B1 Asymmetric hydrogenation CIBA GEIGY AG (CH) 1996-01-24 EP claimed
EP-0257411-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ENAMINES OR THE CORRESPONDING ALDEHYDES F. HOFFMANN-LA ROCHE AG (CH) 1992-11-25 EP claimed
US-4861890-A Isomerization HOFFMANN-LA ROCHE INC. (US) 1989-08-29 US claimed
EP-0104376-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINES AND ENAMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-05-06 EP claimed
EP-0104375-A1 Phosphorus-containing biphenyl derivatives and their use in asymmetric hydrogenation and enatioselective hydrogen shifts F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-04 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST S1PR1, S1PR4, S1PR3 TDP1 2234/4885CYP3A4 1653/4885DRD1 1479/4885
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist S1PR1, S1PR4, S1PR3 TDP1 2234/4885CYP3A4 1653/4885DRD1 1479/4885

“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.