SCHEMBL3585497

SCHEMBL3585497

NCCC(N)CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
LOXL2 Q9Y4K0 2/20 0.56
CYP2A6 P11509 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
MAOA P21397 2/20 0.50
ANPEP P15144 3/20 0.48
ERAP1 Q9NZ08 2/20 0.48
ERAP2 Q6P179 1/20 0.48
EPHX1 P07099 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.46
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL4895850 0.91 EPHX1 (0.56) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL9367447 0.88 MAOA (0.57) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL19143919 0.85 TDP1 (0.54) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL3442080 0.84 HTR2A (0.52) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL11805109 0.84 S1PR2 (0.62) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL4890813 0.84 MAOA (0.59) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL10436202 0.83 MAOA (0.57) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL19295552 0.82 SMN1; SMN2 (0.42) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL172466 0.81 S1PR1 (0.49) TAAR1MAOAANPEPERAP1ERAP2
SCHEMBL8599042 0.81 ANPEP (0.50) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109928867-B Method for synthesizing 3, 5-dihydroxyl pentylbenzene 江苏暨明医药科技有限公司 2022-04-12 CN claimed
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US claimed
CN-112939738-B Preparation method of 3, 5-dihydroxypentylbenzene 杭州凯方科技有限公司 2022-12-09 CN disclosed
CN-109928867-B Method for synthesizing 3, 5-dihydroxyl pentylbenzene 江苏暨明医药科技有限公司 2022-04-12 CN disclosed
CN-109928867-B Method for synthesizing 3, 5-dihydroxyl pentylbenzene 江苏暨明医药科技有限公司 2022-04-12 CN disclosed
CN-112939738-A Preparation method of 3, 5-dihydroxypentylbenzene 杭州凯方科技有限公司 2021-06-11 CN disclosed
CN-111393265-A Synthetic method of 3, 5-dihydroxypentylbenzene 安徽中羰碳一工业技术有限责任公司 2020-07-10 CN disclosed
US-9376553-B2 Organic-inorganic composite molded product and optical element CANON KABUSHIKI KAISHA (JP) 2016-06-28 US disclosed
US-20140142229-A1 ORGANIC-INORGANIC COMPOSITE MOLDED PRODUCT AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-05-22 US disclosed
WO-2012172736-A1 ORGANIC-INORGANIC COMPOSITE MOLDED PRODUCT AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2012-12-20 WO 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 HTR2A 439/4885LOXL2 4742/4885CYP2A6 2818/4885

“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.