Hexane

Hexane

SCHEMBL3754301

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCCC(Cl)Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.48
DNM1 Q05193 2/20 0.48
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GPR84 Q9NQS5 3/20 0.42
FDPS P14324 3/20 0.42
SPHK1 Q9NYA1 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.41

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
Hexane SCHEMBL1145162 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL26106 1.00
SCHEMBL7574727 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL17747414 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL16969849 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL154425 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL688498 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL1525236 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL15226631 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL977939 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP claimed
CN-116323624-A Quinazoline compound and application thereof 上海医药集团股份有限公司 2023-06-23 CN claimed
WO-2024071415-A1 COMPOUND, METAL COMPLEX, CATALYST COMPOSITION FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER 日本ポリケム株式会社 2024-04-04 WO disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
CN-116323624-A Quinazoline compound and application thereof 上海医药集团股份有限公司 2023-06-23 CN disclosed
CN-115260158-A Compound of targeted protein regulator and application thereof 上海医药集团股份有限公司 2022-11-01 CN disclosed
US-10516111-B2 Polymer/fullerene formations and their use in electronic/photonic devices THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-12-24 US disclosed
US-9831433-B2 Conjugated polymers and devices incorporating the same Raynergy Tek Incorporation (TW) 2017-11-28 US disclosed
US-20160322575-A1 POLYMER/FULLERENE FORMATIONS AND THEIR USE IN ELECTRONIC/PHOTONIC DEVICES THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-11-03 US disclosed
US-20160141499-A1 CONJUGATED POLYMERS AND DEVICES INCORPORATING THE SAME Raynergy Tek Incorporation (TW) 2016-05-19 US disclosed
WO-2015096797-A1 POLYMER/FULLERENE FORMATIONS AND THEIR USE IN ELECTRONIC/PHOTONIC DEVICES THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-07-02 WO disclosed
US-7838130-B2 Aminodibenzofluorene derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-23 US disclosed
US-20090267491-A1 AMINODIBENZOFLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-29 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 (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-20090267491-A1 AMINODIBENZOFLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME L1CAM, DDC, LEF1 TSHR 4740/4885THRB 4396/4885LMNA 516/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF TSHR 4687/4885THRB 3677/4885LMNA 3525/4885

“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.