SCHEMBL536228

SCHEMBL536228

OC(F)(F)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ PTPN1 P18031 2/20 0.50
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KCNN4 O15554 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ TRPV6 Q9H1D0 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
SCHEMBL31134911 0.83 PGK1 (0.41) ALDH1A1TSHRKIF11PGK1PGK2
SCHEMBL9548120 0.81 ALDH1A1 (0.58) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL13219505 0.77 ALDH1A1 (0.52) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL5865852 0.77 TSHR (0.52) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL25930149 0.77 ALDH1A1 (0.52) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL7576295 0.77 ALDH1A1 (0.52) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL2864482 0.77 NR1H3 (0.57) ALDH1A1TSHRPTPN1NR1H2NR1H3
SCHEMBL2761335 0.77 ALDH1A1 (0.52) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL542694 0.77 NR1H3 (0.63) ALDH1A1TSHRNR1H2NR1H3
SCHEMBL28034552 0.77 ALDH1A1 (0.52) ALDH1A1TSHRPTPN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-211436624-U Centrifugal machine for difluorobenzyl alcohol production 江西犇牛医药化工有限公司 2020-09-08 — — CN claimed
CN-211371756-U PH meter is used in difluorobenzyl alcohol production laboratory 江西犇牛医药化工有限公司 2020-08-28 — — CN claimed
CN-211086157-U Melting point instrument for preparing difluorobenzyl alcohol compound 江西犇牛医药化工有限公司 2020-07-24 — — CN claimed
CN-111303179-A Synthesis of norcantharidin carboxylic acid difluoro benzyl ester and anti-tumor application thereof 遵义医科大学 2020-06-19 — — CN claimed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 — — EP claimed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 — — US claimed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 — — US claimed
EP-2877468-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2015-06-03 — — EP claimed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 — — US claimed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 — — EP claimed
WO-2014009794-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-01-16 — — WO claimed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 — — US claimed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 — — US claimed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 — — WO claimed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 — — US claimed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 — — WO claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 — — US claimed
US-6967236-B1 Methods of processing and synthesizing electrically conductive polymers and precursors thereof to form electrically conductive polymers having high electrical conductivity INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2005-11-22 — — US claimed
EP-3882235-B1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND UNIV KOBE NAT UNIV CORP (JP) 2025-01-22 — — EP disclosed
EP-0373531-A1 Novel pyridobenzoxazine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-06-20 — — EP 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 (3 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-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV CCR5, CD4, HAVCR2 ALDH1A1 1971/4885TSHR 4830/4885PTPN1 4057/4885
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT ALDH1A1 1779/4885TSHR 4524/4885PTPN1 2890/4885
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 ALDH1A1 3054/4885TSHR 4838/4885PTPN1 4449/4885

“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.

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