SCHEMBL1679860

SCHEMBL1679860

c1ccc([PH2](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 6/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ ALOX12 P18054 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10560031 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL29742149 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL11851387 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Ammonia Solution, Strong SCHEMBL10353912 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL7027927 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL2809108 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL29391525 0.93 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Ethyne SCHEMBL2390599 0.93 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Ethylene SCHEMBL6059829 0.93 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Ammonia Solution, Strong SCHEMBL31046202 0.84 BBOX1 (0.32) ALDH1A1BBOX1EHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057558-B Synthesis method, catalytic system and application of 3, 5-trimethylhexanal 上海簇睿低碳能源技术有限公司 2024-01-30 — — CN claimed
CN-110833835-B Preparation method of carbon-coated metal particle anchored nano catalytic material 广西大学 2023-06-09 — — CN claimed
EP-4103572-A1 PREPARATION OF A P2X3 ANTAGONIST Bellus Health Cough Inc. (CA) 2022-12-21 — — EP claimed
EP-3797107-B1 HETEROCONDENSED PYRIDONE COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2022-08-10 — — EP claimed
CN-114100541-A Method for synthesizing isononanal by microchannel reaction device 上海簇睿低碳能源技术有限公司 2022-03-01 — — CN claimed
CN-114057558-A Synthetic method, catalytic system and application of 3,5, 5-trimethylhexanal 上海簇睿低碳能源技术有限公司 2022-02-18 — — CN claimed
CN-107073461-B Catalyst composition for hydroformylation and hydroformylation process using the same LG化学株式会社 2021-08-27 — — CN claimed
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-07-08 — — US claimed
EP-3797107-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2021-03-31 — — EP claimed
CN-108788125-B Copper-iridium nanowire and synthetic method thereof 淮海工学院 2020-03-27 — — CN claimed
EP-0424248-B1 20,21-Dinoreburnamine derivatives, substituted in position 15, process for their preparation and novel intermediates so obtained, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1996-01-10 — — EP claimed
WO-1994024113-A1 METHOD OF PREPARATION OF 6-FLUORO-2-HALOGEN QUINOLINE RHONE-POULENC RORER S.A. (FR) 1994-10-27 — — WO claimed
EP-0564723-A1 An improved process for the synthesis of D(+) Biotin Council of Scientific and Industrial Research (IN) 1993-10-13 — — EP claimed
EP-0424248-A2 20,21-Dinoreburnamine derivatives, substituted in position 15, process for their preparation and novel intermediates so obtained, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1991-04-24 — — EP claimed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 — — EP claimed
US-4751307-A Wittig-reaction processes MALLINCKRODT, INC. (US) 1988-06-14 — — US claimed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 — — EP claimed
EP-0093419-B1 PROCESS FOR PREPARING CHLORO-DIPHENYL PHOSPHANE HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-07 — — EP claimed
EP-0006123-B1 A PTERIDINE DERIVATIVE AND A PROCESS FOR THE PREPARATION OF 10-DEAZAAMINOPTERIN AND ITS DERIVATIVES FROM THE PTERIDINE DERIVATIVE Southern Research Institute (US) 1985-01-16 — — EP claimed
US-4411985-A TRIARYLPHOSPHINES OR TRIARYLPHOSPHORANES STABILIZERS EASTMAN KODAK COMPANY (US) 1983-10-25 — — US 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 (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-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A ALDH1A1 305/4885TSHR 4561/4885TDP1 646/4885

“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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