SCHEMBL687846

SCHEMBL687846

CCCCc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
NFKB1 P19838 2/20 0.59
RAB9A P51151 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA2 P00918 2/20 0.54
CA1 P00915 1/20 0.54
TAAR1 Q96RJ0 3/20 0.52
HTR2A P28223 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.50
ESR1 P03372 2/20 0.50

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
SCHEMBL27881438 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL11996483 0.98 SMN1; SMN2 (0.58) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
Ethylene SCHEMBL27589046 0.95 SMN1; SMN2 (0.56) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2050263 0.93 NPC1 (0.64) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL1815390 0.93 ESR1 (0.59) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL15353198 0.91 ESR1 (0.63) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL11523006 0.91 ESR1 (0.57) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL340275 0.91 ESR1 (0.63) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL4191545 0.91 ESR1 (0.63) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL7471227 0.91 ESR1 (0.63) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819459-B Tri-tooth europium complex, preparation method and application thereof 复旦大学 2024-12-20 CN claimed
CN-112920813-B Photo-thermal response chiral photosensitive liquid crystal dopant containing azobenzene binaphthyl 湘潭大学 2023-08-22 CN claimed
CN-115819459-A Tridentate europium complex, preparation method and application thereof 复旦大学 2023-03-21 CN claimed
CN-112920813-A Photo-thermal responsive chiral photosensitive liquid crystal dopant containing azobenzene binaphthalene 湘潭大学 2021-06-08 CN claimed
CN-106410041-B Polymer solar battery and preparation method 电子科技大学 2018-11-27 CN claimed
CN-106410041-A Polymer solar cell and preparation method thereof 电子科技大学 2017-02-15 CN claimed
US-20130184484-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 2013-07-18 US claimed
US-20110282090-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 2011-11-17 US claimed
EP-1463770-A1 ORGANIC COMPOSITION Honeywell International Inc. (US) 2004-10-06 EP claimed
WO-2003057755-A1 ORGANIC COMPOSITION HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 WO claimed
US-5349007-A With olefin polymers POLYPLASTICS CO., LTD. (JP) 1994-09-20 US claimed
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
CN-115210239-B Aromatic compound, organic semiconductor layer, and organic thin film transistor 东曹株式会社 2025-04-11 CN disclosed
US-12233402-B2 Cross-coupling reaction catalysts, and methods of making and using same YALE UNIVERSITY (US) 2025-02-25 US disclosed
CN-115819459-B Tri-tooth europium complex, preparation method and application thereof 复旦大学 2024-12-20 CN disclosed
US-4330473-A FLUORAN COLOR-FORMER YAMAMOTO KAGAKU GOSEI KABUSHIKI KAISHA (JP) 1982-05-18 US disclosed
EP-0049981-A1 Valienamine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-04-21 EP disclosed
US-4226958-A Process for preparing organo-arsenic derivatives of polystyrene and related polymers THE UPJOHN COMPANY (US) 1980-10-07 US disclosed
US-3992536-A SEDATIVES AND MUSCLE RELAXANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-16 US disclosed
US-3931185-A SEDATIVES, MUSCLE RELAXANT BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 US 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-20110282090-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL ME1, MEN1, CYP2B6 SMN1; SMN2 1990/4885NPC1 1784/4885NFKB1 459/4885
US-20130184484-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL ME1, MEN1, CYP2B6 SMN1; SMN2 1990/4885NPC1 1784/4885NFKB1 459/4885
US-12233402-B2 Cross-coupling reaction catalysts, and methods of making and using same TET2, TIMCC, MDM4 SMN1; SMN2 2982/4885NPC1 4188/4885NFKB1 3522/4885

“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.