SCHEMBL806323

SCHEMBL806323

Cc1ccc2cc(F)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.68
CYP2A6 P11509 4/20 0.68
TDP1 Q9NUW8 1/20 0.56
ACHE P22303 2/20 0.52
KIF11 P52732 1/20 0.44
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NFE2L2 Q16236 2/20 0.41
BACE1 P56817 2/20 0.40
NCK1 P16333 1/20 0.40
LMNA P02545 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL27919196 0.97 CYP1A2 (0.65) CYP1A2CYP2A6TDP1ACHEKIF11
SCHEMBL12017095 0.95 CYP2A6 (0.62) CYP1A2CYP2A6TDP1ACHEKIF11
SCHEMBL8153220 0.92 CYP2A6 (0.70) CYP1A2CYP2A6TDP1ACHEKIF11
Ammonia Solution, Strong SCHEMBL27937804 0.90 CYP2A6 (0.67) CYP1A2CYP2A6TDP1ACHEKIF11
SCHEMBL7666203 0.88 CYP1A2 (0.52) CYP1A2CYP2A6TDP1ACHEKIF11
SCHEMBL6562601 0.83 CYP1A2 (0.77) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL30366405 0.83 CYP1A2 (0.77) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL29389285 0.83 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ACHEMAPT
SCHEMBL308248 0.83 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ACHEMAPT
SCHEMBL13347764 0.81 ACHE (0.50) CYP1A2CYP2A6ACHEALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4778802-A PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS JOHN WYETH & BROTHER, LTD. (GB) 1988-10-18 US claimed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
EP-4245295-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-09-20 EP disclosed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
US-20230121151-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 US disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0234098-B1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1992-02-26 EP disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed
US-4778802-A PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS JOHN WYETH & BROTHER, LTD. (GB) 1988-10-18 US disclosed
EP-0234098-A1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-09-02 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885CYP2A6 1430/4885TDP1 2750/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 CYP1A2 4173/4885CYP2A6 4660/4885TDP1 149/4885

“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.