SCHEMBL3333377

SCHEMBL3333377

C1=CC[C](c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SLC6A4 P31645 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1097512 0.95 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2SLC22A2SLC22A1
SCHEMBL23433023 0.69 PDE4B (0.33) ALDH1A1MAPT
SCHEMBL22698818 0.68 TAAR1 (0.35) CFTRGOPC
SCHEMBL24633311 0.68 MGLL (0.35)
Biphenyl SCHEMBL27335698 0.67 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SLC22A2SLC22A1SLC22A3
Biphenyl SCHEMBL27827084 0.67 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SLC22A2SLC22A1SLC22A3
SCHEMBL19834896 0.67 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10789398 0.65 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SLC22A2SLC22A1SLC22A3
Biphenyl SCHEMBL27964305 0.65 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SLC22A2SLC22A1SLC22A3
Biphenyl SCHEMBL27354128 0.65 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SLC22A2SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1046389-B1 Cosnetic composition in particular a make-up composition comprising a pyrrolopyrrole pigment OREAL (FR) 2003-08-13 EP claimed
US-6372202-B1 Cosmetic composition, in particular a make-up composition, comprising a pigment derived from pyrrolopyrrole L'OREAL (FR) 2002-04-16 US claimed
US-5785750-A A QUINACRIDONE DYES PROMOTING PIGMENT DISPERSION FOR AUTOMOBILE FINISH CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-07-28 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
WO-2024071364-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2024-04-04 WO disclosed
CN-116261343-A Organic light emitting display device 乐金显示有限公司 2023-06-13 CN disclosed
WO-2023008488-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-02-02 WO disclosed
US-20230026457-A1 ELECTRODE MATERIAL WASEDA UNIVERSITY (JP) 2023-01-26 US disclosed
US-11130855-B2 Composition for forming release layer, and release layer NISSAN CHEMICAL CORPORATION (JP) 2021-09-28 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
WO-2021149705-A1 COMPOSITION FOR FORMING RELEASE LAYER FOR ALKALI GLASS, AND RELEASE LAYER 日産化学株式会社 2021-07-29 WO disclosed
WO-2021132383-A1 COMPOSITION FOR FORMING RELEASE LAYER, AND RELEASE LAYER 日産化学株式会社 2021-07-01 WO disclosed
EP-0068813-B1 FUNGICIDAL 1,2,4-TRIAZOLE AND IMIDAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-09-25 EP disclosed
US-4428960-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1984-01-31 US disclosed
US-4388310-A ANTIBIOTIC MERCK & CO., INC. (US) 1983-06-14 US disclosed
US-4374849-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-02-22 US disclosed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US disclosed
US-4217453-A BACTERICIDES, ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4157262-A Intensification of photographic silver images by physical development and improvement in physical developer solution for use therein FUJI PHOTO FILM CO., LTD. (JP) 1979-06-05 US disclosed
US-3944627-A TO ALKYLBENZENES, GROUP 8 METAL SUPPORTED CATALYST SHELL OIL COMPANY (US) 1976-03-16 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 (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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885MAPT 4544/4885SMN1; SMN2 3900/4885

“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.